Chemical Properties of Dimethylmalonic acid, heptadecyl 2,2,3,3,3-pentafluoropropyl ester

InChI

InChI=1S/C25H43F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33-21(31)23(2,3)22(32)34-20-24(26,27)25(28,29)30/h4-20H2,1-3H3

InChI Key

CJKDHDFVEAGYEU-UHFFFAOYSA-N

Formula

C25H43F5O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCC(F)(F)C(F)(F)F

Molecular Weight¹

502.60

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-1273.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-2055.73	kJ/mol	Joback Calculated Property
ΔfusH°	59.24	kJ/mol	Joback Calculated Property
ΔvapH°	81.58	kJ/mol	Joback Calculated Property
log10WS	-8.75		Crippen Calculated Property
logPoct/wat	8.168		Crippen Calculated Property
McVol	386.840	ml/mol	McGowan Calculated Property
Pc	732.84	kPa	Joback Calculated Property
Inp	[2363.00; 2363.00]
Inp	2363.00		NIST
Inp	2363.00		NIST
Tboil	910.64	K	Joback Calculated Property
Tc	1120.91	K	Joback Calculated Property
Tfus	526.04	K	Joback Calculated Property
Vc	1.540	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1315.97; 1417.20]	J/mol×K	[910.64; 1120.91]
Cp,gas	1315.97	J/mol×K	910.64	Joback Calculated Property
Cp,gas	1335.76	J/mol×K	945.69	Joback Calculated Property
Cp,gas	1354.25	J/mol×K	980.73	Joback Calculated Property
Cp,gas	1371.53	J/mol×K	1015.78	Joback Calculated Property
Cp,gas	1387.72	J/mol×K	1050.82	Joback Calculated Property
Cp,gas	1402.90	J/mol×K	1085.87	Joback Calculated Property
Cp,gas	1417.20	J/mol×K	1120.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, heptadecyl 2,2,3,3,3-pentafluoropropyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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